SCHEMBL9257516

SCHEMBL9257516

CCCCNC(=O)Oc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
NCEH1 Q6PIU2 1/20 0.53
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 1/20 0.47
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10753491 0.92 HSP90AA1 (0.60) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL11217622 0.87 HSP90AA1 (0.52) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL10751843 0.87 HSP90AA1 (0.63) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL5250058 0.83 FAAH (0.64) HSP90AA1LMNAPOLBKDM4EMAPT
SCHEMBL11084416 0.80 HSP90AA1 (0.55) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL4411378 0.80 HSP90AA1 (0.68) HSP90AA1KDM4EMAPTGAAMEN1
SCHEMBL795857 0.79 HSP90AA1 (0.68) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL9813597 0.79 NCEH1 (0.72) NCEH1KDM4EGAA
SCHEMBL3453951 0.78 HSP90AA1 (0.62) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL10752030 0.78 LMNA (0.55) HSP90AA1LMNAL3MBTL1METAP2METAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438056-A Anticholesterol agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-08-01 US disclosed